Common name
methyl acetate
IUPAC name
methyl acetate
SMILES
O(C(=O)C)C
Common name
methyl acetate
IUPAC name
methyl acetate
SMILES
O(C(=O)C)C
INCHI
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
FORMULA
C3H6O2
Common name
methyl acetate
IUPAC name
methyl acetate
Molecular weight
74.079
clogP
-0.072
clogS
-0.209
Frequency
0.0151
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00366 | Cefotaxime |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Third-Generation Cephalosporins; | Used to treat gonorrhoea, meningitis, and severe infections including infections of the kidney (pyelonephritis) and urinary system. Also used before an operation to prevent infection after surgery. |
| FDBD00553 | Mycophenolate mofetil |
|
Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For the prophylaxis of organ rejection in patients receiving allogeneic renal, cardiac or hepatic transplants. Mycophenolate mofetil should be used concomitantly with cyclosporine and corticosteroids. |
| FDBD00554 | Cephaloglycin |
|
Anti-Bacterial Agents; Cephalosporins; | For treatment of severe infections caused by susceptible bacteria. |
| FDBD00622 | Clopidogrel |
|
Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Purinergic P2Y Receptor Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; | For the reduction of atherosclerotic events (myocardial infarction, stroke, and vascular death) in patients with atherosclerosis documented by recent stroke, recent myocardial infarction, or established peripheral arterial disease. |
| FDBD00632 | Hydrocortamate |
|
Anti-Inflammatory Agents; Corticosteroids; CYP3A4 Inhibitors; | Used topically as an antiinflammatory in the treatment of steroid-responsive dermatoses. |
| FDBD00757 | Remifentanil |
|
Hypnotics and Sedatives; Anesthetics, Intravenous; Analgesics, Opioid; Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; | For use during the induction and maintenance of general anesthesia. |
| FDBD00785 | Misoprostol |
|
Indicated for the treatment of ulceration (duodenal, gastric and NSAID induced) and prophylaxis for NSAID induced ulceration. | |
| FDBD00833 | Cyclopentolate |
|
Muscarinic Antagonists; Parasympatholytics; Mydriatics; Ophthalmologicals; Sensory Organs; Anticholinergics; Mydriatics and Cycloplegics; | Used mainly to produce mydriasis and cycloplegia for diagnostic purposes. |
| FDBD00846 | Methyl aminolevulinate |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; Sensitizers Used in Photodynamic/radiation Therapy; | For topical use, in combination with 570 to 670 nm wavelength red light illumination, in the treatment of non-hyperkeratotic actinic keratoses of the face and scalp in immunocompetent patients when used in conjunction with lesion preparation (debridement using a sharp dermal curette). |
| FDBD00849 | Auranofin |
|
Antirheumatic Agents; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products; Specific Antirheumatic Agents; Gold Preparations; | Used in the treatment of active, progressive or destructive forms of inflammatory arthritis, such as adult rheumatoid arthritis. |
44 ,
5
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kot_ligand_frag_3.mol2 | 4kot | 1 | -5.74 | COC(=O)C | 5 |
| 4kox_ligand_frag_1.mol2 | 4kox | 1 | -5.74 | COC(=O)C | 5 |
| 2rin_ligand_frag_2.mol2 | 2rin | 1 | -5.70 | COC(=O)C | 5 |
| 1p6d_ligand_1_6.mol2 | 1p6d | 1 | -5.69 | COC(=O)C | 5 |
| 1p6e_ligand_1_5.mol2 | 1p6e | 1 | -5.62 | COC(=O)C | 5 |
| 4nwc_ligand_frag_4.mol2 | 4nwc | 1 | -5.61 | CC(=O)OC | 5 |
| 2xz5_ligand_frag_2.mol2 | 2xz5 | 1 | -5.60 | COC(=O)C | 5 |
| 3e3c_ligand_1_4.mol2 | 3e3c | 1 | -5.56 | COC(=O)C | 5 |
| 3is9_ligand_1_8.mol2 | 3is9 | 1 | -5.55 | CC(=O)OC | 5 |
139 ,
14
